2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide

C18H28N2O4S — CID 71912046

IUPAC2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-4-19-17(21)13-24-15-7-5-6-14(12-15)20-25(22,23)16-8-10-18(2,3)11-9-16/h5-7,12,16,20H,4,8-11,13H2,1-3H3,(H,19,21)
InChIKeyGFBMZPUBOMTYNO-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.91
Rot. Bonds7

About 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide

2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide (PubChem CID 71912046) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
PubChem CID71912046
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-4-19-17(21)13-24-15-7-5-6-14(12-15)20-25(22,23)16-8-10-18(2,3)11-9-16/h5-7,12,16,20H,4,8-11,13H2,1-3H3,(H,19,21)
InChIKeyGFBMZPUBOMTYNO-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-ethyl-2-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetamide
CID 39871766
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075521
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide (CID 71912046) is 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide is CCNC(=O)COc1cccc(NS(=O)(=O)C2CCC(C)(C)CC2)c1.
What is the InChIKey of 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The InChIKey is GFBMZPUBOMTYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-19-17(21)13-24-15-7-5-6-14(12-15)20-25(22,23)16-8-10-18(2,3)11-9-16/h5-7,12,16,20H,4,8-11,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide?
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide has a molecular weight of 368.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 71912046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).